4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride

C15H25ClN2O2 — CID 119714822

IUPAC4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1OCC(C)C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-12(2)11-19-14-8-5-4-7-13(14)17-15(18)9-6-10-16-3;/h4-5,7-8,12,16H,6,9-11H2,1-3H3,(H,17,18);1H
InChIKeyMWWIFCPYODYBED-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.08
Rot. Bonds8

About 4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride

4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride (PubChem CID 119714822) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
PubChem CID119714822
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1OCC(C)C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-12(2)11-19-14-8-5-4-7-13(14)17-15(18)9-6-10-16-3;/h4-5,7-8,12,16H,6,9-11H2,1-3H3,(H,17,18);1H
InChIKeyMWWIFCPYODYBED-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
CID 119814465
4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 79203312
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119733604
4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride
CID 119792496
N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119799491
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17179049
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
2-(3-methoxypropylamino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54829121

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride (CID 119714822) is 4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride is CNCCCC(=O)Nc1ccccc1OCC(C)C.Cl.
What is the InChIKey of 4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The InChIKey is MWWIFCPYODYBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-12(2)11-19-14-8-5-4-7-13(14)17-15(18)9-6-10-16-3;/h4-5,7-8,12,16H,6,9-11H2,1-3H3,(H,17,18);1H.
What are the key properties of 4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119714822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).